bis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate

C8H12O6S2 — CID 91003557

IUPACbis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate
SMILESC=COS(=O)(=O)C(C(=C)C)S(=O)(=O)OC=C
InChIInChI=1S/C8H12O6S2/c1-5-13-15(9,10)8(7(3)4)16(11,12)14-6-2/h5-6,8H,1-3H2,4H3
InChIKeyYAMJWHSMWJXNTD-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.87
Rot. Bonds7

About bis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate

bis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate (PubChem CID 91003557) has the molecular formula C8H12O6S2 and a molecular weight of 268.31 g/mol. Its IUPAC name is bis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate.

Molecular Properties

Compound Namebis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate
PubChem CID91003557
Molecular FormulaC8H12O6S2
Molecular Weight268.31 g/mol
Exact Mass268.01
IUPAC Namebis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate
SMILESC=COS(=O)(=O)C(C(=C)C)S(=O)(=O)OC=C
InChIInChI=1S/C8H12O6S2/c1-5-13-15(9,10)8(7(3)4)16(11,12)14-6-2/h5-6,8H,1-3H2,4H3
InChIKeyYAMJWHSMWJXNTD-UHFFFAOYSA-N
XLogP0.87
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-methylprop-2-ene-1-sulfinate
CID 11286560
Propyl 2-methylprop-2-ene-1-sulfonate
CID 19063512
Prop-2-enyl 2-methylprop-2-ene-1-sulfonate
CID 21516111
Ethyl 2-methylprop-2-ene-1-sulfonate
CID 21539884
Bis(ethenyl) butane-1,4-disulfonate
CID 21972135
Bis(prop-2-enyl) prop-2-ene-1,1-disulfonate
CID 87135705
2-Prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate
CID 87856500
2-Methylprop-1-enyl ethenesulfonate
CID 87857390
[(E)-2-prop-2-enylsulfonyloxyethenyl] prop-2-ene-1-sulfonate
CID 87857476
2-Methylprop-1-enyl ethanesulfonate
CID 88813306
2-Methylprop-2-enoxy ethanesulfonate
CID 88829647
Bis(prop-2-enyl) ethane-1,2-disulfonate
CID 89572439

Frequently Asked Questions

What is the IUPAC name of bis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate?
The IUPAC name of bis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate (CID 91003557) is bis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate.
What is the SMILES notation for bis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate?
The canonical SMILES for bis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate is C=COS(=O)(=O)C(C(=C)C)S(=O)(=O)OC=C.
What is the InChIKey of bis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate?
The InChIKey is YAMJWHSMWJXNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6S2/c1-5-13-15(9,10)8(7(3)4)16(11,12)14-6-2/h5-6,8H,1-3H2,4H3.
What are the key properties of bis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate?
bis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate has a molecular weight of 268.31 g/mol, XLogP of 0.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl) 2-methylprop-2-ene-1,1-disulfonate is sourced from PubChem (CID 91003557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).